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A1IX7

Summary
Name:1-[2,5-bis(chloranyl)phenyl]carbonyl-~{N}-[(4-methylphenyl)methyl]piperidine-4-carboxamide
Formula:C21 H22 Cl2 N2 O2
Formal charge:0
Formula weight:405.318 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-[2,5-bis(chloranyl)phenyl]carbonyl-~{N}-[(4-methylphenyl)methyl]piperidine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H22Cl2N2O2/c1-14-2-4-15(5-3-14)13-24-20(26)16-8-10-25(11-9-16)21(27)18-12-17(22)6-7-19(18)23/h2-7,12,16H,8-11,13H2,1H3,(H,24,26)
InChIKeyInChI1.06HWTLZRSGBYUJIG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(CNC(=O)C2CCN(CC2)C(=O)c3cc(Cl)ccc3Cl)cc1
SMILESCACTVS3.385Cc1ccc(CNC(=O)C2CCN(CC2)C(=O)c3cc(Cl)ccc3Cl)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1)CNC(=O)C2CCN(CC2)C(=O)c3cc(ccc3Cl)Cl
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)CNC(=O)C2CCN(CC2)C(=O)c3cc(ccc3Cl)Cl

248636

PDB entries from 2026-02-04

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